N-cyclohexyl-2-[methyl-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioyl]amino]benzamide

Systemtic Name: N-cyclohexyl-2-[methyl-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioyl]amino]benzamide Openeye Name: N-cyclohexyl-2-[methyl-[[(E)-3-(2-thienyl)prop-2-enoyl]carbamothioyl]amino]benzamide CAS Name: N-cyclohexyl-2-[methyl-[[[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-cyclohexyl-2-[methyl-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioyl]amino]benzamide Traditional Name: N-cyclohexyl-2-[methyl-[[(E)-3-(2-thienyl)acryloyl]thiocarbamoyl]amino]benzamide Formula: C22H25N3O2S2 MolecularWeight: 427.5828

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)NC2CCCCC2)C(=S)NC(=O)C=CC3=CC=CS3

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)NC2CCCCC2)C(=S)NC(=O)/C=C/C3=CC=CS3

InChI

InChI=1S/C22H25N3O2S2/c1-25(22(28)24-20(26)14-13-17-10-7-15-29-17)19-12-6-5-11-18(19)21(27)23-16-8-3-2-4-9-16/h5-7,10-16H,2-4,8-9H2,1H3,(H,23,27)(H,24,26,28)/b14-13+